Geometry & MOs

Info

ID:	318966
PubChem CID:	126653960
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	4.2
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(1-methyl-2-oxopyrimidin-5-yl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN=C(N=C3)SC)CC(=O)OC(C)(C)C

DOS

IR

Vibrations